Sugi Predict

Sugi Predict / Compounds / SCHEMBL4547844

SCHEMBL4547844

SCHEMBL4547844

COOSc1ccc(C(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.36
▸ TYR P14679 2/20 0.35
▸ MCL1 Q07820 2/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ ALOX5 P09917 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20072477 0.82 HTT (0.40) IDO1TYRMCL1BCL2SMN1; SMN2
SCHEMBL12628582 0.81 — —
SCHEMBL13542565 0.81 IDO1 (0.35) IDO1TYRMCL1BCL2SMN1; SMN2
SCHEMBL14513806 0.77 CYP3A4 (0.46) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL10094580 0.76 HDAC4 (0.43) TYRSMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL8983826 0.75 ACHE (0.40) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL23894557 0.74 LMNA (0.40) IDO1TYRMCL1BCL2SMN1; SMN2
SCHEMBL14513507 0.74 SLC6A4 (0.42) LMNAALOX5
SCHEMBL19865715 0.73 NR1H2 (0.46) TYRALDH1A1RAB9AMEN1KMT2A
SCHEMBL13712745 0.72 HPGD (0.41) SMN1; SMN2ALDH1A1MAPTL3MBTL1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884032-B2 Trioxane monomers and dimers THE JOHNS HOPKINS UNIVERSITY (US) 2014-11-11 — — US disclosed
US-8362037-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-01-29 — — US disclosed
US-8212045-B2 Pyridin-2-yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA, INC. (US) 2012-07-03 — — US disclosed
US-20120108545-A1 Trioxane Monomers and Dimers THE JOHNS HOPKINS UNIVERSITY (US) 2012-05-03 — — US disclosed
US-8022223-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2011-09-20 — — US disclosed
US-7943649-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2011-05-17 — — US disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 — — US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 — — US disclosed
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 — — US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 — — US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 — — US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 — — US disclosed
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2009-06-18 — — US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 — — US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 — — US disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 — — US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 — — US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 — — US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 IDO1 149/4885TYR 1768/4885MCL1 456/4885
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 IDO1 51/4885TYR 491/4885MCL1 1372/4885
US-20120108545-A1 Trioxane Monomers and Dimers CDK10, TMSB10, CASP10 IDO1 1847/4885TYR 4818/4885MCL1 751/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES IDO1 1300/4885TYR 805/4885MCL1 1738/4885
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 IDO1 171/4885TYR 562/4885MCL1 881/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 IDO1 87/4885TYR 585/4885MCL1 1555/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 IDO1 2695/4885TYR 1431/4885MCL1 3943/4885
US-20090156603-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, PRKCSH IDO1 1582/4885TYR 477/4885MCL1 4013/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK IDO1 1156/4885TYR 1484/4885MCL1 3873/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 IDO1 1116/4885TYR 3494/4885MCL1 2559/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 IDO1 87/4885TYR 585/4885MCL1 1555/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.